2-(3-ethyl-2-nitro-4-oxidanylidene-2-prop-2-enylsulfanyl-azetidin-1-yl)-3-phenyl-propanoic acid

Systemtic Name: 2-(3-ethyl-2-nitro-4-oxidanylidene-2-prop-2-enylsulfanyl-azetidin-1-yl)-3-phenyl-propanoic acid Openeye Name: 2-(2-allylsulfanyl-3-ethyl-2-nitro-4-oxo-azetidin-1-yl)-3-phenyl-propanoic acid CAS Name: 2-[3-ethyl-2-nitro-4-oxo-2-(prop-2-enylthio)-1-azetidinyl]-3-phenylpropanoic acid IUPAC Name: 2-(3-ethyl-2-nitro-4-oxo-2-prop-2-enylsulfanylazetidin-1-yl)-3-phenylpropanoic acid Traditional Name: 2-[2-(allylthio)-3-ethyl-4-keto-2-nitro-azetidin-1-yl]-3-phenyl-propionic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C1([N+](=O)[O-])SCC=C)C(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCC1C(=O)N(C1([N+](=O)[O-])SCC=C)C(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H20N2O5S/c1-3-10-25-17(19(23)24)13(4-2)15(20)18(17)14(16(21)22)11-12-8-6-5-7-9-12/h3,5-9,13-14H,1,4,10-11H2,2H3,(H,21,22)